2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[2-(4-methoxyphenyl)-1-azepanyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-(4-methoxyphenyl)azepan-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N2O3S/c1-27-21-12-10-19(11-13-21)22-9-3-2-6-15-24(22)28(25,26)23-16-14-18-7-4-5-8-20(18)17-23/h4-5,7-8,10-13,22H,2-3,6,9,14-17H2,1H3